8009-3838 Screening compound: 3-(4-methoxyphenyl)-4-phenyl-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

8009-3838 Screening compound: 3-(4-methoxyphenyl)-4-phenyl-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
8009-3838 Screening compound: 3-(4-methoxyphenyl)-4-phenyl-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3838
3-(4-methoxyphenyl)-4-phenyl-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8009-3838

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

3-(4-methoxyphenyl)-4-phenyl-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(4-methoxyphenyl)-4-phenyl-1-[(4-phenylpiperidin-1-yl)methyl]-45-dihydro-1H-124-triazole-5-thione

SMILES

COc(cc1)ccc1C(N1c2ccccc2)=NN(CN(CC2)CCC2c2ccccc2)C1=S

InChI

InChI=1S/C27H28N4OS/c1-32-25-14-12-23(13-15-25)26-28-30(27(33)31(26)24-10-6-3-7-11-24)20-29-18-16-22(17-19-29)21-8-4-2-5-9-21/h2-15,22H,16-20H2,1H3

InChI Key

LSUMDQZESRJMDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.860

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.71

Polar Surface Area

30.925

Acid Dissociation Constant (pKa)

25.10

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

References: we are preparing a list of scientific research reports with 8009-3838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3838?
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What is the minimum amount of 8009-3838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3838
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8009-3838 available by request